NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4303 8.2893 120.3478 55.3534 33.2679 175.3560 2 F 4.2713 8.4863 118.0861 57.3491 38.6839 173.9343 3 R 4.3089 7.5029 122.8912 54.1640 31.9808 176.7733 4 E 4.0587 8.4740 124.6245 56.3368 29.8759 176.3177 5 E 4.1960 8.5505 122.4836 55.8537 29.6906 177.9051 6 S 3.9104 8.6410 118.1011 58.9435 63.5809 175.1826 7 R 3.8724 7.4408 118.5949 57.2519 27.6714 177.0388 8 S 4.2344 7.3784 115.5599 58.8838 61.1629 174.0724 9 V 4.2910 7.5495 117.6053 58.4231 34.2487 174.8846 10 P 4.2792 0.0000 0.0000 64.9260 31.4009 177.5997 11 V 4.6928 7.0747 108.6568 59.4096 34.7827 174.2901 12 E 4.7484 9.5308 122.0428 53.8606 32.7550 175.7453 13 E 4.0123 8.5258 119.9525 58.1975 29.6328 177.6211 14 G 3.9405 9.7725 113.2423 45.4688 0.0000 172.5775 15 E 4.8068 8.0991 118.8803 54.3722 32.9371 175.1104 16 V 5.0737 7.6692 119.1948 60.6606 34.2225 174.3611 17 Y 4.6763 9.0496 121.5068 56.2446 42.4013 174.7406 18 D 5.0340 8.9923 123.1995 53.9573 40.4233 175.9215 19 V 4.5595 8.9378 117.0910 59.6653 35.3785 174.6770 20 T 4.9090 8.1774 118.6241 61.7439 70.7336 174.4715 21 I 3.8228 8.8410 127.9659 61.8181 36.7950 176.6502 22 Q 4.0230 8.6512 127.3157 58.0219 29.6427 175.4541 23 D 4.9436 8.0898 117.1005 52.7747 45.7882 174.2971 24 I 5.1612 8.0243 120.1543 59.6773 41.1911 175.0647 25 A 4.3228 9.2889 129.2159 51.1795 20.1785 177.3838 26 R 4.4605 8.7838 120.1332 57.1181 28.5341 176.3358 27 Q 5.4806 8.7597 135.0000 56.6201 29.4294 173.8744 28 G 3.9482 7.4473 105.3277 45.0646 0.0000 172.5878 29 D 4.9659 8.2934 121.4955 53.2172 42.1782 175.9674 30 G 4.4459 9.2004 112.9997 45.7892 0.0000 172.1444 31 I 4.5123 9.3105 127.8237 60.2154 38.4912 175.1081 32 A 4.6787 8.7999 132.0104 50.4780 19.4711 175.3988 33 R 4.7812 8.2635 118.0970 55.7523 29.7372 175.5842 34 I 3.9678 8.6209 127.7284 61.2532 37.0478 176.1162 35 E 3.8684 9.9943 123.2209 57.0052 27.1553 175.1837 36 G 4.0136 8.2950 107.3491 45.5306 0.0000 174.4469 37 F 4.2108 8.5730 124.3012 58.0302 40.6687 174.3705 38 V 3.9610 7.5360 126.4582 61.7826 32.6388 174.2009 39 I 4.5710 8.1101 129.7702 59.6769 39.4213 174.8378 40 F 4.8967 9.1366 126.7498 56.4292 40.7059 175.1472 41 V 5.2231 8.8497 124.9299 59.1821 32.4113 171.5717 42 P 4.6904 0.0000 0.0000 62.7249 32.0150 176.8206 43 G 3.9503 9.5566 115.0364 46.5871 0.0000 172.0912 44 T 4.7898 7.6581 109.1054 59.4606 72.3569 172.1563 45 K 4.7431 8.0821 119.6111 54.4230 35.3884 175.7816 46 V 3.9339 8.2705 123.7551 64.9483 31.4590 176.2797 47 G 3.9077 9.4854 116.8456 44.8541 0.0000 172.1896 48 D 4.5595 8.2703 121.4396 53.8557 42.2556 174.8447 49 E 5.0557 8.8186 125.1910 55.2689 30.5084 175.5670 50 V 4.5942 8.7719 117.4970 59.4605 37.2039 175.2272 51 R 4.8361 8.5838 121.7145 55.6663 31.1067 175.4283 52 I 4.8015 8.8218 119.4814 59.3566 40.1189 174.9728 53 K 4.7314 9.3084 128.6073 55.0417 33.0293 175.8652 54 V 4.2716 8.9943 129.7853 63.2219 30.9514 176.3936 55 E 4.1417 8.9612 127.6172 59.1434 29.8167 177.5218 56 R 4.8588 7.9543 115.7910 55.0663 35.2020 174.2074 57 V 4.7866 8.3419 113.0438 59.7547 35.0227 175.4032 58 L 4.6809 8.7726 124.4363 51.9965 44.0708 175.9853 59 P 4.4151 0.0000 0.0000 64.6998 31.3546 177.4276 60 K 4.5623 7.2117 115.0534 56.2033 34.5654 175.3639 61 F 4.4047 6.8811 111.2474 55.9916 41.4701 172.8010 62 A 5.1077 8.1530 120.6053 50.2130 22.8617 174.9885 63 F 5.6594 9.1419 117.7888 55.8976 42.0289 174.8568 64 A 5.2930 9.1571 123.5644 50.7012 23.1633 174.7389 65 S 4.9824 8.8968 113.4099 56.2647 66.6350 173.1127 66 V 4.3062 8.4191 124.1625 62.4183 31.7527 175.7945 67 V 4.2399 8.4449 120.6819 60.1700 32.4955 176.1739 68 E 4.1143 8.2048 126.1433 57.0311 29.5755 174.4140 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.43 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 2 F 8.49 4.27 0.00 3.24 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.50 4.31 0.00 1.11 1.37 0.00 3.09 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 4 E 8.47 4.06 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 5 E 8.55 4.20 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 6 S 8.64 3.91 0.00 3.97 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.44 3.87 0.00 1.83 2.03 0.00 3.29 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 8 S 7.38 4.23 0.00 3.99 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.55 4.29 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.87 0.00 0.00 10 P 0.00 4.28 0.00 1.78 1.93 0.00 2.96 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 11 V 7.07 4.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.84 0.00 0.00 12 E 9.53 4.75 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 13 E 8.53 4.01 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 14 G 9.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.10 4.81 0.00 2.18 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 16 V 7.67 5.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.96 0.00 0.00 17 Y 9.05 4.68 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.99 5.03 0.00 2.59 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.94 4.56 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.02 0.00 0.00 20 T 8.18 4.91 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 21 I 8.84 3.82 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 0.94 0.00 0.00 22 Q 8.65 4.02 0.00 1.91 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.28 0.00 23 D 8.09 4.94 0.00 2.66 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.02 5.16 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.99 0.00 0.00 25 A 9.29 4.32 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.78 4.46 0.00 1.81 1.93 0.00 3.34 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 27 Q 8.76 5.48 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.54 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 28 G 7.45 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.29 4.97 0.00 2.87 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.20 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.31 4.51 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.05 0.69 0.00 0.00 32 A 8.80 4.68 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.26 4.78 0.00 1.76 1.88 0.00 2.97 0.00 0.00 3.18 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 34 I 8.62 3.97 1.87 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.83 0.00 0.00 35 E 9.99 3.87 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 36 G 8.30 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.57 4.21 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.54 3.96 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.75 0.00 0.00 39 I 8.11 4.57 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.97 0.00 0.00 40 F 9.14 4.90 0.00 2.82 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.85 5.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.99 0.00 0.00 42 P 0.00 4.69 0.00 2.03 2.12 0.00 3.93 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.41 0.00 43 G 9.56 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.66 4.79 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 45 K 8.08 4.74 0.00 1.75 1.62 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.41 7.81 46 V 8.27 3.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 47 G 9.49 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.27 4.56 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.82 5.06 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 50 V 8.77 4.59 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.96 0.00 0.00 51 R 8.58 4.84 0.00 1.78 1.89 0.00 3.10 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 52 I 8.82 4.80 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.99 0.97 0.00 0.00 53 K 9.31 4.73 0.00 1.89 1.80 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.47 7.81 54 V 8.99 4.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.09 0.00 0.00 55 E 8.96 4.14 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 56 R 7.95 4.86 0.00 1.88 1.93 0.00 3.10 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 57 V 8.34 4.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 58 L 8.77 4.68 0.00 0.88 1.01 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.42 0.00 2.01 2.11 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 60 K 7.21 4.56 0.00 1.86 2.00 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.41 7.81 61 F 6.88 4.40 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.15 5.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.14 5.66 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 9.16 5.29 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.90 4.98 0.00 3.94 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.42 4.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.97 0.00 0.00 67 V 8.44 4.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.01 0.00 0.00 68 E 8.20 4.11 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00